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4-(2,2'-Bithiophen-5-yl)but-3-ynyl 3-methylbutanoate
SpectraBase Compound ID BTz5t9xCGmP
InChI InChI=1S/C17H18O2S2/c1-13(2)12-17(18)19-10-4-3-6-14-8-9-16(21-14)15-7-5-11-20-15/h5,7-9,11,13H,4,10,12H2,1-2H3
InChIKey APLQBKOCISXZRF-UHFFFAOYSA-N
Mol Weight 318.45 g/mol
Molecular Formula C17H18O2S2
Exact Mass 318.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7usP232S2B
Name 4-(2,2'-Bithiophen-5-yl)but-3-ynyl 3-methylbutanoate
Alternate Name(s) 4-([2,2'-bithiophen]-5-yl)but-3-yn-1-yl 3-methylbutanoate 3-Methylbutanoic acid 4-(5-thiophen-2-yl-2-thiophenyl)but-3-ynyl ester 4-[5-(2-thienyl)-2-thienyl]but-3-ynyl 3-methylbutanoate 4-(5-Thiophen-2-ylthiophen-2-yl)but-3-ynyl 3-methylbutanoate
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Formula C17H18O2S2
InChI InChI=1S/C17H18O2S2/c1-13(2)12-17(18)19-10-4-3-6-14-8-9-16(21-14)15-7-5-11-20-15/h5,7-9,11,13H,4,10,12H2,1-2H3
InChIKey APLQBKOCISXZRF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201200330
Molecular Weight 318.449 g/mol
SMILES CC(CC(OCCC#Cc1sc(cc1)-c1sccc1)=O)C
SPLASH splash10-014i-2190000000-235464d441c390760fb7
Source of Spectrum CBD-10-663-Table1,Compound131
Wiley ID 1771195